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We have calculated quantum reactive and elastic cross-sections for D$^{+}+$ para-H$_2$($v$=0, $j$=0) $\rightarrow$ H$^+$ + HD collisons using the hyperspherical quantum reactive scattering method [Chem. Phys. Lett. 1990,169, 473]. The…

Chemical Physics · Physics 2014-10-07 Manuel Lara , P. G. Jambrina , F. J. Aoiz , J. -M. Launay

Reactive and elastic cross-sections, and rate coefficients, have been calculated for the S(1D)+ D2 (v=0, j=0) reaction using a modified hyperspherical quantum reactive scattering method. The considered collision energy ranges from the…

Chemical Physics · Physics 2023-05-24 Manuel Lara , P. G. Jambrina , F. J. Aoiz

We calculate the parameters of the recently-derived many-channel Hubbard model that is predicted to describe ultracold nonreactive molecules in an optical lattice, going beyond the approximations used in Do\c{c}aj \textit{et al.}~[Phys.…

Reactive cross-sections for the collision of open shell S(^1D) atoms with ortho- and para-hydrogen, in the kinetic energy range 1-120 K, have been calculated using the hyperspherical quantum reactive scattering method developed by Launay et…

Chemical Physics · Physics 2017-09-13 Manuel Lara , F. Dayou , J. -M. Launay

We present an efficient method for rigorous quantum calculations of cross sections for atom-molecule reactive scattering in the presence of a dc electric field. The wavefunction of the reaction complex is expanded in an overcomplete set of…

Chemical Physics · Physics 2026-05-07 Timur V. Tscherbul , Roman V. Krems

A fundamental question in the study of chemical reactions is how reactions proceed at a collision energy close to absolute zero. This question is no longer hypothetical: quantum degenerate gases of atoms and molecules can now be created at…

Chemical Physics · Physics 2017-08-29 J. F. E. Croft , C. Makrides , M. Li , A. Petrov , B. K. Kendrick , N. Balakrishnan , S. Kotochigova

Chemical reactions represent a class of quantum problems that challenge both the current theoretical understanding and computational capabilities. Reactions that occur at ultralow temperatures provide an ideal testing ground for quantum…

Chemical Physics · Physics 2021-05-25 Yu Liu , Ming-Guang Hu , Matthew A. Nichols , Dongzheng Yang , Daiqian Xie , Hua Guo , Kang-Kuen Ni

We present a theory for rigorous quantum scattering calculations of probabilities for chemical reactions of atoms with diatomic molecules in the presence of an external electric field. The approach is based on the fully uncoupled basis set…

Atomic Physics · Physics 2012-02-06 T. V. Tscherbul , R. V. Krems

We consider a general problem of inelastic collision of particles interacting with power-law potentials. Using quantum defect theory we derive an analytical formula for the energy-dependent complex scattering length, valid for arbitrary…

Atomic Physics · Physics 2014-10-14 Krzysztof Jachymski , Michał Krych , Paul S. Julienne , Zbigniew Idziaszek

We derive novel low-temperature asymptotics for the spectrum of the infinitesimal generator of the overdamped Langevin dynamics. The novelty is that this operator is endowed with homogeneous Dirichlet conditions at the boundary of a domain…

Analysis of PDEs · Mathematics 2026-02-12 Noé Blassel , Tony Lelièvre , Gabriel Stoltz

Recent research on the fundamentals of statistical mechanics has led to an interesting discovery [1-3]: With locally nonchaotic barriers, as Boltzmann's H-theorem is inapplicable, there exist nontrivial non-thermodynamic systems that can…

Statistical Mechanics · Physics 2025-05-27 Yu Qiao

In this article we propose a model based on the Statistical Bootstrap approach to estimate the cross sections of different hadronic reactions up to a few GeV in c.m.s energy. The method is based on the idea, when two particles collide a so…

Nuclear Theory · Physics 2018-04-04 Gábor Balassa , Péter Kovács , György Wolf

The atmospheric reaction of H$_2$S with Cl has been reinvestigated to check if, as previously suggested, only explicit dynamical computations can lead to an accurate evaluation of the reaction rate because of strong recrossing effects and…

Chemical Physics · Physics 2020-07-21 Jacopo Lupi , Cristina Puzzarini , Carlo Cavallotti , Vincenzo Barone

Reaction probabilities as a function of total angular momentum and the resulting reaction cross-sections for the collision of open shell S($^1$D) atoms with para-hydrogen have been calculated in the kinetic energy range 0.09--10 meV (1--120…

Chemical Physics · Physics 2015-05-28 Manuel Lara , P. G. Jambrina , A. J. C. Varandas , J. -M. Launay , F. J. Aoiz

The paper presents a theoretical study of the dynamics of the H + HCl system on the potential energy surface (PES) of Bian and Werner (Bian, W.; Werner, H. -J., J. Chem. Phys. 2000, 112, 220). A time-dependent wave packet approach was…

Chemical Physics · Physics 2016-09-28 Li Yao , Ke-Li Han , He-Shan Song , Dong-Hui Zhang

We survey recent results on reaction-diffusion equations with discontinuous hysteretic nonlinearities. We connect these equations with free boundary problems and introduce a related notion of spatial transversality for initial data and…

Analysis of PDEs · Mathematics 2015-08-11 Mark Curran , Pavel Gurevich , Sergey Tikhomirov

We construct the velocity map images of the proton transfer reaction between helium and molecular hydrogen ions H2+. We perform simulations of imaging experiments at one representative total collision energy taking into account the inherent…

Chemical Physics · Physics 2018-01-17 Mario Hernández Vera , R. Wester , F. A. Gianturco

Thermal rate coefficients for some atomic collisions have been observed to be remarkably independent of the details of interatomic interactions at short range. This makes these rate coefficients universal functions of the long-range…

Atomic Physics · Physics 2024-12-20 Xuyang Guo , Kirk W. Madison , James L. Booth , Roman V. Krems

Non-relativistic quantum particles bounded to a curve in R^2 by attractive contact $\delta$-interaction are considered. The interval between the energy of the transversal bound state and zero is shown to belong to the absolutely continuous…

Mathematical Physics · Physics 2020-08-13 J. Dittrich

Background: alpha-nucleus potentials play an essential role for the calculation of alpha-induced reaction cross sections at low energies in the statistical model... Purpose: The present work studies the total reaction cross section…

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